2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide

C21H28N4O — CID 57221970

IUPAC2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCC(C(=O)N[C@H](CN1CCCC1)c1cccc(N)c1)c1ccccc1N
InChIInChI=1S/C21H28N4O/c1-15(18-9-2-3-10-19(18)23)21(26)24-20(14-25-11-4-5-12-25)16-7-6-8-17(22)13-16/h2-3,6-10,13,15,20H,4-5,11-12,14,22-23H2,1H3,(H,24,26)/t15?,20-/m1/s1
InChIKeyFIBZMRWEIZRKLG-YQYDADCPSA-N
MW352.48 g/mol
LogP2.91
Rot. Bonds6

About 2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide

2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 57221970) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID57221970
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCC(C(=O)N[C@H](CN1CCCC1)c1cccc(N)c1)c1ccccc1N
InChIInChI=1S/C21H28N4O/c1-15(18-9-2-3-10-19(18)23)21(26)24-20(14-25-11-4-5-12-25)16-7-6-8-17(22)13-16/h2-3,6-10,13,15,20H,4-5,11-12,14,22-23H2,1H3,(H,24,26)/t15?,20-/m1/s1
InChIKeyFIBZMRWEIZRKLG-YQYDADCPSA-N
XLogP2.91
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 57020394
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 106591406
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
CID 134050112
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
3-pyrrolidin-1-ylpropyl 2-(3-aminophenyl)propanoate
CID 106592484
N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide
CID 121348094
2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 140971156
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
1-[4-[2-(2-aminophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]ethanone
CID 62266489
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 106591180
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78892196

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 57221970) is 2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide is CC(C(=O)N[C@H](CN1CCCC1)c1cccc(N)c1)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is FIBZMRWEIZRKLG-YQYDADCPSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15(18-9-2-3-10-19(18)23)21(26)24-20(14-25-11-4-5-12-25)16-7-6-8-17(22)13-16/h2-3,6-10,13,15,20H,4-5,11-12,14,22-23H2,1H3,(H,24,26)/t15?,20-/m1/s1.
What are the key properties of 2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[(1S)-1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 57221970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).